CAS 28387-66-8 tert-butyl N-((3-hydroxyphenyl)methyl)carbamate (HCID 18369568)

기본 정보

CAS: 28387-66-8
표준 SMILES: CC(C)(C)OC(=O)NCc1cccc(O)c1
InChIKey: JEQIMDDMLRIZKL-UHFFFAOYSA-N
분자식: C12H17NO3
평균 분자량: 223.27 g/mol
단동위원소 질량: 223.1208434

이름 및 식별자

우선 이름: tert-butyl N-((3-hydroxyphenyl)methyl)carbamate
IUPAC: tert-butyl N-[(3-hydroxyphenyl)methyl]carbamate
현지명: (3-HYDROXY-BENZYL)-탄산tert-부틸에스테르
영어명: (3-Hydroxy-benzyl)-carbamic acid tert-butyl ester
분자식: C12H17NO3
분자량: 223.27

이름 및 동의어

tert-butyl N-[(3-hydroxyphenyl)methyl]carbamatetert-butyl N-((3-hydroxyphenyl)methyl)carbamateRefChem:894994824-619-828387-66-8tert-butyl 3-hydroxybenzylcarbamateMFCD07776927(3-HYDROXY-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTERtert-Butyl (3-hydroxybenzyl)carbamate3-[(Boc-amino)methyl]phenolCarbamic acid, [(3-hydroxyphenyl)methyl]-, 1,1-dimethylethyl ester3-(Boc-aminomethyl)phenol, 97%

이름 더 보기

(3-HYDROXY-BENZYL)-탄산tert-부틸에스테르3-[(tert-butyloxycarbonylamino)methyl]phenolCarbamic acid, N-[(3-hydroxyphenyl)methyl]-, 1,1-dimethylethyl ester

3-(Boc-aminomethyl)phenol3-[(Boc-amino)methyl]-phenolSCHEMBL1111369SCHEMBL30151702DTXSID00593189tert-butyl3-hydroxybenzylcarbamateJEQIMDDMLRIZKL-UHFFFAOYSA-NALBB-035430

데이터베이스 식별자

CAS: 28387-66-8
PubChem CID: 18369568
DTXSID: DTXSID00593189
EC Number: 824-619-8

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 235

물리화학적 성질

녹는점: 75 · 75-76℃
끓는 점: 382.9 · 382.9±25.0 °C(Predicted)
밀도: 1.121 · 1.121±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 9.85 · 9.85±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.